Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM482346'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Programmed cell death protein 1 (Homo sapiens)	BDBM482346 (US10919852, Compound TABLE 1.45 | US11708326, Comp...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(F)CC3)c2C)c(Cl)cc1CN[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C36H44ClFN2O6/c1-3-44-34-20-35(30(37)19-24(34)21-39-31(22-41)36(42)43)46-33-12-11-28-27(8-4-9-29(28)33)26-7-5-10-32(23(26)2)45-18-6-15-40-16-13-25(38)14-17-40/h4-5,7-10,19-20,25,31,33,39,41H,3,6,11-18,21-22H2,1-2H3,(H,42,43)/t31-,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
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